3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol

C26H40N8O2 — CID 166695233

IUPAC3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
SMILESCCCC(CCO)Nc1nc(N)nc2cnn(Cc3nc(C4CCN(C(C)C)CC4)ccc3OC)c12
InChIInChI=1S/C26H40N8O2/c1-5-6-19(11-14-35)29-25-24-21(31-26(27)32-25)15-28-34(24)16-22-23(36-4)8-7-20(30-22)18-9-12-33(13-10-18)17(2)3/h7-8,15,17-19,35H,5-6,9-14,16H2,1-4H3,(H3,27,29,31,32)
InChIKeyBNDCVBZQQZGFCJ-UHFFFAOYSA-N
MW496.66 g/mol
LogP3.41
Rot. Bonds11

About 3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol

3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol (PubChem CID 166695233) has the molecular formula C26H40N8O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is 3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
PubChem CID166695233
Molecular FormulaC26H40N8O2
Molecular Weight496.66 g/mol
Exact Mass496.33
IUPAC Name3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
SMILESCCCC(CCO)Nc1nc(N)nc2cnn(Cc3nc(C4CCN(C(C)C)CC4)ccc3OC)c12
InChIInChI=1S/C26H40N8O2/c1-5-6-19(11-14-35)29-25-24-21(31-26(27)32-25)15-28-34(24)16-22-23(36-4)8-7-20(30-22)18-9-12-33(13-10-18)17(2)3/h7-8,15,17-19,35H,5-6,9-14,16H2,1-4H3,(H3,27,29,31,32)
InChIKeyBNDCVBZQQZGFCJ-UHFFFAOYSA-N
XLogP3.41
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.66
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol?
The IUPAC name of 3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol (CID 166695233) is 3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol.
What is the SMILES notation for 3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol?
The canonical SMILES for 3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol is CCCC(CCO)Nc1nc(N)nc2cnn(Cc3nc(C4CCN(C(C)C)CC4)ccc3OC)c12.
What is the InChIKey of 3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol?
The InChIKey is BNDCVBZQQZGFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N8O2/c1-5-6-19(11-14-35)29-25-24-21(31-26(27)32-25)15-28-34(24)16-22-23(36-4)8-7-20(30-22)18-9-12-33(13-10-18)17(2)3/h7-8,15,17-19,35H,5-6,9-14,16H2,1-4H3,(H3,27,29,31,32).
What are the key properties of 3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol?
3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol has a molecular weight of 496.66 g/mol, XLogP of 3.41, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol is sourced from PubChem (CID 166695233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).